6P3U

Crystal structure of Eis from Mycobacterium tuberculosis in complex with inhibitor SGT335

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	N-acetyltransferase Eis	polymer	422	45999.1	1	UniProt (P9WFK7) Pfam (PF13527) Pfam (PF17668) Pfam (PF13530) In PDB	Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)	Aminoglycoside N-acetyltransferase,Enhanced intracellular survival protein,Protein-lysine N-acetyltransferase
2	A	1-(4-fluorophenyl)-2-[2-(4-fluorophenyl)-2-oxoethyl]pyrrolo[1,2-a]pyrazin-2-ium	non-polymer		349.4	1	Chemie (NRY)
3	A	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
4	A	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	1	Chemie (PEG)
5	A	SULFATE ION	non-polymer		96.1	5	Chemie (SO4)
6		water	water		18.0	152	Chemie (HOH)

Sequence modifications

A: 1 - 402 (UniProt: P9WFK7)

PDB	External Database	Details
Met -19	-	initiating methionine
Gly -18	-	expression tag
Ser -17	-	expression tag
Ser -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
Ser -9	-	expression tag
Ser -8	-	expression tag
Gly -7	-	expression tag
Leu -6	-	expression tag
Val -5	-	expression tag
Pro -4	-	expression tag
Arg -3	-	expression tag
Gly -2	-	expression tag
Ser -1	-	expression tag
His 0	-	expression tag
Ala 204	Cys 204	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	45999.1
Non-Polymers*	Number of molecules	9
	Total formula weight	1120.0
All*	Total formula weight	47119.1

*Water molecules are not included.